#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/17/2022

data_5yOhtAoR
_audit_creation_date            2022-10-17
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    "Ni1 Cr1 O4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Bull. Soc. fr. Mineral."
_citation_journal_volume        92
_citation_page_first            264
_citation_page_last             273
_citation_article_id            .
_citation_year                  1969
_citation_DOI                   10.3406/bulmi.1969.6355

loop_
_citation_author_name
"M. Pernet"
"G. Quezel"
"J. Coing-Boyat"
"E. F. Bertaut"

_temperature_position_structure         300
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  23492
_atomic_positions_source_other               .

_transition_temperature     ?
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+ 1 1 . primary 1 .
mY4+ 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at 300K
Transition temperature is not given
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two irreps as primary irreps. This means that two different order parameters in the sense of Landau theory are involved in this ordering.
The mx component transforms according to mGM1+ with k=0, and my,mz according to mY4+ with k=(1,0,0)
;

_parent_space_group.name_H-M_alt  'C m c m'
_parent_space_group.IT_number                       63
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]
k2 [1 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'

_space_group_magn.number_BNS  60.417
_space_group_magn.name_BNS  "P b c n"
_space_group_magn.point_group_name  "mmm"
_space_group_magn.point_group_number  "8.1.24"
_cell_length_a                 5.52400
_cell_length_b                 8.30800
_cell_length_c                 6.23400
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 x+1/2,-y+1/2,-z,+1 
3 -x,y,-z+1/2,+1 
4 -x+1/2,-y+1/2,z+1/2,+1 
5 -x,-y,-z,+1 
6 -x+1/2,y+1/2,z,+1 
7 x,-y,z+1/2,+1 
8 x+1/2,y+1/2,-z+1/2,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co1 Co 0.00000 0.00000 0.00000 1
Cr1 Cr 0.00000 0.35700 0.25000 1
O1 O 0.00000 0.24000 0.03300 1
O2 O 0.25000 0.47200 0.25000 1

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Co1 0.69 0.0 0.98 mx,my,mz 1.20(7) ? ?

